Propane-1,2,3-Triyl Tris(3-Oxooctanoate)
[CAS# 68444-14-4]

Identification

• Name: Propane-1,2,3-Triyl Tris(3-Oxooctanoate)
• Synonyms: [2-(3-Oxooctanoyloxy)-1-(3-Oxooctanoyloxymethyl)Ethyl] 3-Oxooctanoate; 3-Oxooctanoic Acid [2-(1,3-Dioxooctoxy)-1-(1,3-Dioxooctoxymethyl)Ethyl] Ester; 3-Ketocaprylic Acid [2-(3-Ketooctanoyloxy)-1-(3-Ketooctanoyloxymethyl)Ethyl] Ester
• Molecular Formula: C₂₇H₄₄O₉
• Molecular Weight: 512.64
• CAS Registry Number: 68444-14-4
• EINECS: 270-586-2
• SMILES: C(C(OC(=O)CC(=O)CCCCC)COC(=O)CC(=O)CCCCC)OC(=O)CC(=O)CCCCC
• InChI: 1S/C27H44O9/c1-4-7-10-13-21(28)16-25(31)34-19-24(36-27(33)18-23(30)15-12-9-6-3)20-35-26(32)17-22(29)14-11-8-5-2/h24H,4-20H2,1-3H3
• InChIKey: DNBRLNRCKKEJHW-UHFFFAOYSA-N

Properties

• Density: 1.076g/cm³ (Cal.)
• Boiling point: 569.152°C at 760 mmHg (Cal.)
• Flash point: 236.367°C (Cal.)